Geometry & MOs

Info

ID:	284460
PubChem CID:	104046922
Reduced:	BrClNOC16H17 (1)
Stoich.:	ABCDE16F17 (1)
Weight, g/mol:	255.074287
ΔH_f, kcal/mol:	-18.07
Dipole, Da:	3.43
IP(EA), eV:	-8.54(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-methyl-3-(2-methyl-4-nitrophenoxy)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NCC2=C(C=CC(=C2)Br)Cl)CCCO

DOS

IR

Vibrations